methyl 2-[5-ethoxy-7-(phenylmethyl)cinnolin-3-yl]benzoate

Systemtic Name: methyl 2-[5-ethoxy-7-(phenylmethyl)cinnolin-3-yl]benzoate Openeye Name: methyl 2-(7-benzyl-5-ethoxy-cinnolin-3-yl)benzoate CAS Name: 2-[5-ethoxy-7-(phenylmethyl)-3-cinnolinyl]benzoic acid methyl ester IUPAC Name: methyl 2-(7-benzyl-5-ethoxycinnolin-3-yl)benzoate Traditional Name: 2-(7-benzyl-5-ethoxy-cinnolin-3-yl)benzoic acid methyl ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=NN=C(C=C12)C3=CC=CC=C3C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC(=CC2=NN=C(C=C12)C3=CC=CC=C3C(=O)OC)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3/c1-3-30-24-15-18(13-17-9-5-4-6-10-17)14-22-21(24)16-23(27-26-22)19-11-7-8-12-20(19)25(28)29-2/h4-12,14-16H,3,13H2,1-2H3